Entry |
|
Name |
Avermectin B2b monosaccharide
|
Formula |
C40H60O12
|
Exact mass |
732.4085
|
Mol weight |
732.90
|
Structure |
|
Reaction |
|
Pathway |
map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
|
Enzyme |
2.4.1.-
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11957 Avermectin B2b monosaccharide
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 52
1 C1z C 29.8915 -12.7379
2 O2x O 31.0828 -13.4263
3 C1y C 32.2746 -12.7389
4 C1y C 32.2751 -11.3630
5 C1y C 31.0842 -10.6745
6 C1x C 29.8921 -11.3620
7 C1x C 26.2949 -12.0494
8 C2x C 25.0940 -12.7379
9 C2y C 23.8923 -12.0439
10 C1y C 22.6902 -12.7379
11 C1y C 22.6902 -14.1256
12 C1y C 27.4957 -12.7379
13 C1x C 29.8936 -14.1358
14 O2x O 28.7005 -12.0489
15 C1y C 28.6887 -14.8248
16 C1x C 27.4973 -14.1279
17 O7x O 28.6811 -16.2049
18 C2x C 23.8954 -14.8174
19 C2x C 23.8954 -16.2015
20 C2x C 25.0921 -16.8860
21 C2y C 25.0845 -18.2677
22 C7x C 27.4855 -16.8991
23 C1y C 27.4779 -18.2811
24 C1z C 26.2819 -18.9601
25 C1y C 26.2724 -20.3355
26 C1y C 27.4584 -21.0313
27 C2y C 28.6541 -20.3521
28 C2x C 28.6638 -18.9770
29 C1a C 23.8923 -10.6559
30 O2a O 21.4882 -12.0439
31 C1a C 21.6292 -14.9613
32 C1x C 23.8805 -18.9580
33 O1a O 26.4736 -17.5679
34 O1a O 27.4487 -22.4193
35 C1a C 29.8511 -21.0544
36 O6a O 26.2845 -16.2036
37 C1a C 33.4774 -10.6698
38 C1c C 33.4761 -13.4334
39 C1a C 33.4756 -14.8214
40 C1a C 34.6783 -12.7400
41 O2x O 23.9293 -20.3439
42 C1y C 17.8950 -12.7379
43 C1y C 17.8950 -14.1256
44 C1y C 19.0957 -14.8250
45 C1x C 20.2967 -14.1256
46 C1y C 20.2967 -12.7379
47 O2x O 19.0957 -12.0494
48 C1a C 16.6941 -12.0421
49 O2a O 19.0957 -16.2131
50 O1a O 16.6917 -14.8172
51 C1a C 20.2978 -16.9071
52 O1a O 31.0847 -9.2868
BOND 57
1 12 16 1
2 23 24 1
3 24 25 1
4 25 26 1
5 26 27 1
6 27 28 2
7 28 23 1
8 15 13 1
9 9 29 1
10 13 1 1
11 10 30 1 #Down
12 1 14 1
13 11 31 1 #Down
14 14 12 1
15 21 32 1
16 12 7 1 #Up
17 24 33 1 #Down
18 7 8 1
19 26 34 1 #Up
20 1 2 1 #Down
21 27 35 1
22 15 16 1
23 22 36 2
24 22 17 1
25 4 37 1 #Down
26 15 17 1 #Up
27 3 38 1 #Up
28 2 3 1
29 38 39 1
30 3 4 1
31 38 40 1
32 18 19 2
33 32 41 1
34 25 41 1
35 19 20 1
36 4 5 1
37 8 9 2
38 9 10 1
39 20 21 2
40 21 24 1
41 42 43 1
42 43 44 1
43 44 45 1
44 45 46 1
45 46 47 1
46 47 42 1
47 23 22 1 #Down
48 42 48 1 #Down
49 10 11 1
50 44 49 1 #Down
51 11 18 1
52 43 50 1 #Up
53 5 6 1
54 49 51 1
55 46 30 1 #Up
56 1 6 1 #Up
57 5 52 1 #Down
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